SCHEMBL8044387

SCHEMBL8044387

Cc1[nH]c(-c2nnc(Sc3ncc(S(C)(=O)=O)s3)n2-c2ccccc2)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.32
POLB P06746 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PKM P14618 1/20 0.31
TLR5 O60602 1/20 0.31
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8043237 0.85 TSHR (0.39) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8043019 0.84 HDAC6 (0.38) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8047165 0.82 NPC1 (0.44) TSHRALDH1A1MEN1KMT2ASIRT2
SCHEMBL8044406 0.82 ATM (0.44) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL8042389 0.81 TSHR (0.57) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8043803 0.80 HDAC6 (0.41) TSHRHSD17B10POLBHDAC6PKM
SCHEMBL8710522 0.80 TP53 (0.46) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8044722 0.78 RPA1 (0.45) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8045179 0.78 TSHR (0.33) TSHRALDH1A1MEN1KMT2A
SCHEMBL8042081 0.78 TSHR (0.44) TSHRALDH1A1MEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed